Tetrafluoromethane

Formula: CF₄
Molecular weight: 88.0043
IUPAC Standard InChI: InChI=1S/CF4/c2-1(3,4)5
IUPAC Standard InChIKey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
CAS Registry Number: 75-73-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Carbon tetrafluoride; Methane, tetrafluoro-; Arcton 0; Carbon fluoride (CF4); Freon 14; FC 14; Perfluoromethane; CF4; Halon 14; Carbon fluoride; F 14; Halocarbon 14; R 14; UN 1982; Refrigerant 14; CFC 14; R 14 (Refrigerant); Refrigerant R 14; Methane, tetrafluo-
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	≤14.7	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	126.5	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	120.4	kcal/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
16.2 ± 0.1	EI	Kime, Driscoll, et al., 1987	LBLHLM
15.3	PE	Novak, Potts, et al., 1985	LBLHLM
16.2	PE	Carlson, Fahlman, et al., 1984	LBLHLM
≤14.7	EVAL	Rosenstock, Draxl, et al., 1977	LLK
16.5	PE	Lloyd and Roberts, 1975	LLK
15.7	PE	Lloyd and Roberts, 1975	LLK
16.2	PE	Bieri, Asbrink, et al., 1981	Vertical value; LLK
16.26	PE	Uehara, Saito, et al., 1973	Vertical value; LLK
16.25 ± 0.04	PE	Jonas, Schweitzer, et al., 1973	Vertical value; LLK
16.20	EI	Harshbarger, Robin, et al., 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	31.5 ± 0.5	?	EI	Dibeler, Reese, et al., 1956	RDSH
CF⁺	22.6 ± 0.5	?	EI	Dibeler, Reese, et al., 1956	RDSH
CF₂⁺	20.3 ± 0.5	?	EI	Dibeler, Reese, et al., 1956	RDSH
CF₃⁺	14.24 ± 0.07	F	END	Fischer and Armentrout, 1990	LL
CF₃⁺	14.2 ± 0.1	F	DER	Tichy, Javahery, et al., 1987	LBLHLM
CF₃⁺	14.7 ± 0.3	F	PI	Powis, 1980	LLK
CF₃⁺	14.9 ± 0.1	F	PIPECO	Simm, Danby, et al., 1975	LLK
CF₃⁺	≤14.84 ± 0.05	F	PIPECO	Brehm, Frey, et al., 1974	LLK
CF₃⁺	≤15.35	F	PI	Walter, Lifshitz, et al., 1969	RDSH
CF₃⁺	15.52 ± 0.02	F	PI	Noutary, 1968	RDSH
CF₃⁺	15.56 ± 0.01	F	PI	Cook and Ching, 1965	RDSH
F⁺	24.0 ± 1.0	?	EI	Bibby, Toubelis, et al., 1965	RDSH

References

Go To: Top, Gas phase ion energetics data, Notes

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Novak, Potts, et al., 1985
Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B., Photoelectron asymmetry measurements for CHF₃ and CF₄ in the photon energy range 19 to 80 eV, J. Phys. B:, 1985, 18, 1581. [all data]

Carlson, Fahlman, et al., 1984
Carlson, T.A.; Fahlman, A.; Svensson, W.A.; Krause, M.O.; Whitley, T.A.; Grimm, F.A.; Piancastelli, M.N.; Taylor, J.W., Angle-resolved photoelectron cross section of CF₄, J. Chem. Phys., 1984, 81, 3828. [all data]

Rosenstock, Draxl, et al., 1977
Rosenstock, H.M.; Draxl, K.; Steiner, B.W.; Herron, J.T., Energetics of gaseous ions, J. Phys. Chem. Ref. Data, 1977, 6. [all data]

Lloyd and Roberts, 1975
Lloyd, D.R.; Roberts, P.J., Photoelectron spectra of halides. VII. Variable temperature He(I) and He(II) studies of CF₄, SiF₄, and GeF₄, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 325. [all data]

Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F), J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]

Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T., Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods, Chem. Lett., 1973, 495. [all data]

Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A., The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]

Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N., The electron impact spectra of the fluoromethanes, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]

Dibeler, Reese, et al., 1956
Dibeler, V.H.; Reese, R.M.; Mohler, F.L., Ionization and dissociation of the trifluoromethyl halides by electron impact, J. Res. NBS, 1956, 57, 113. [all data]

Fischer and Armentrout, 1990
Fischer, E.R.; Armentrout, P.B., The appearance energy of CF₃⁺ from CF₄: Ion/molecule reactions related to the thermochemistry of CF₃⁺., Int. J. Mass Spectrom. Ion Processes, 1990, 101, 1. [all data]

Tichy, Javahery, et al., 1987
Tichy, M.; Javahery, G.; Twiddy, N.D.; Ferguson, E.E., The thermal energy reactions HCl⁺ + SF₆ Ü SF₅⁺ + HF + Cl and HCl⁺ + CF₄ Ü CF₃⁺ + HF + Cl, Int. J. Mass Spectrom. Ion Processes, 1987, 79, 231. [all data]

Powis, 1980
Powis, I., The dissociation of state-selected CF₃X⁺ molecular ions, Mol. Phys., 1980, 39, 311. [all data]

Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I., Translational energy release in the loss of fluorine atoms from the ions SF₆⁺, CF₄⁺ and C₂F₆⁺, J. Chem. Soc., 1975, 426. [all data]

Brehm, Frey, et al., 1974
Brehm, B.; Frey, R.; Kustler, A.; Eland, J.H.D., Kinetic energy release in ion fragmentation: N₂O⁺, COS⁺ and CF₄⁺ decays, Int. J. Mass Spectrom. Ion Processes, 1974, 79, 251. [all data]

Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J., Mass-spectrometric study of the photoionization of C₂F₄ and CF₄, J. Chem. Phys., 1969, 51, 3531. [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]

Cook and Ching, 1965
Cook, G.R.; Ching, B.K., Photoionization and absorption cross sections and fluorescence of CF₄, J. Chem. Phys., 1965, 43, 1794. [all data]

Bibby, Toubelis, et al., 1965
Bibby, M.M.; Toubelis, B.J.; Carter, G., Ionization and dissociation in CF₄, Electron. Letters, 1965, 1, 50. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
IE (evaluated)	Recommended ionization energy